4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide

C19H18N2O6 — CID 99987333

IUPAC4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H18N2O6/c1-25-13-8-7-12-14(27-19(24)16(12)17(13)26-2)9-15(22)21-11-5-3-10(4-6-11)18(20)23/h3-8,14H,9H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m0/s1
InChIKeyAPQCPOASMHBEIP-AWEZNQCLSA-N
MW370.36 g/mol
LogP2.04
Rot. Bonds6

About 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide

4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide (PubChem CID 99987333) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide
PubChem CID99987333
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H18N2O6/c1-25-13-8-7-12-14(27-19(24)16(12)17(13)26-2)9-15(22)21-11-5-3-10(4-6-11)18(20)23/h3-8,14H,9H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m0/s1
InChIKeyAPQCPOASMHBEIP-AWEZNQCLSA-N
XLogP2.04
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[[2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetyl]amino]benzoyl]amino]acetic acid
CID 91638281
2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 41087886
ethyl 3-[[2-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzoate
CID 40918823
2-[5-[4-[[2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetyl]amino]phenyl]tetrazol-2-yl]acetic acid
CID 91640884
2-[3-[[2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetyl]amino]phenoxy]acetic acid
CID 91640584
4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
CID 42649057
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 91640902
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 91639882
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 86207096
(3R)-6,7-dimethoxy-3-(2-oxopropyl)-3H-2-benzofuran-1-one
CID 928822
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
CID 91638722
3-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2837120

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide (CID 99987333) is 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide is COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide?
The InChIKey is APQCPOASMHBEIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-13-8-7-12-14(27-19(24)16(12)17(13)26-2)9-15(22)21-11-5-3-10(4-6-11)18(20)23/h3-8,14H,9H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide?
4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide has a molecular weight of 370.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 99987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).